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The changes of Mo-Mo bond order and atomic charges with n increasing are discussed.

讨论了随n增加,配体S, S~2, S~4对Mo-Mo键序、原子电荷的影响及其变化规律。

By density functional theory B3LYP method with 6-31G basis set, the geometry and electronic structure of the natural inhibitor and derivatives of Adenylosuccinate synthetase were optimized and their thermodynamic stability was also analyzed. The relationship between their electronic structures and bioactivities were discussed based on the Mulliken bond order, atomic net charge distribution and molecular surface electrostatic potential.

利用密度泛函B3LYP方法选择6-31G基组对腺苷酸琥珀酸合成酶天然抑制剂及其衍生物的结构进行优化,并对其稳定性进行了分析,同时采用Mulliken键序、原子电荷分布、表观静电势等对AdSS抑制剂及其衍生物电子结构与其生物活性相关性进行了理论研究。

Atomic element number 101, ends in ium.

"|它的原子序号码是101 字尾是"IUM

Eleven letters,atomic element number 101,ends in ium.

" 十一个字母,它的原子序号码是101字尾是"IUM

2All elements is a substance all of whose atoms have the same atomic number.

原子是一种其所有原子的原子序都相同的物质。

To the chemist the "kind" of atom is specified by its atomic number, since this is the property that determines its chemical behavior.

在化学中原子的"种类"被指定为它的原子序,因为它的属性决定了它的化学性质。

The microstructures of nanocrystallites are analyzed with atomic energy method, radius distribution function and common-neighbor analysis technique.

从原子能量、径向分布函数和局域晶序等角度对纳米晶体的结构进行分析。

The ability of carbon to form stable compounds in such astonishing numbers arises in that it utilizes its four valence electrons completely in the establishment of four covalence,its valence shell becomes saturated.

碳原子能够利用其全部四个价电子构成共价键,并形成稳定的饱和价电子层。这就导致碳元素能构成各类数目惊人的稳定化合物。注意本句使用的是"逆序"的翻译方法。

The contact mode AFM could be used to "sweep" the slipcover and expose the mark. As an example, in situ observation of the bovine serum albumin adsorption film on highly ordered pyrolytic graphite was described. When the marks, atomic steps on HOPG, were covered by BSA molecules, contact mode AFM could "sweep" the BSA molecules away.

以对高序热解石墨(Highly ordered pyrolytic graphite,HOPG)表面牛血清白蛋白(Bovine serum albumin,BSA)吸附的原位观察为例,在BSA膜覆盖HOPG表面的原子台阶后,采用接触模式AFM扫描,将BSA"扫"开,露出HOPG原子台阶作为标记,对图像上的结构进行精确定位。

Halogenated aromatic compounds with great q〓(the most negative net atomic charges on an atom of the molecule), ENC (electron-nuclear attraction energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), qc (thenet atomic charges on the carbon atom of the weakest carbon-halogen bond) and E〓 tend to be reductively dehalogenated slow, while halogenated aromatic compounds with high values of △E (the difference of front-line orbital energy), EEC (electron-electron repulsion energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), Mw, q〓 and α tend to be reductively dehalogenated fast.

卤代芳烃化合物的整个分子的最负的原子净电荷,键序最小的碳卤键中碳原子的单中心项电子-核吸引能,该碳-卤键上碳原子的净电荷和E〓与该卤代芳烃化合物还原脱卤的速率常数负相关;而前线轨道间隙能,键序最小的碳卤键中碳原子的单中心项电子-电子推斥能,Mw,q〓和α与该卤代芳烃化合物还原脱卤的速率常数正相关。

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The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应,而且减少跟风的可能性。

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